ChemSpider 2D Image | 4-[4-(3-Methylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine | C27H32N6

4-[4-(3-Methylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC27H32N6
  • Average mass440.583 Da
  • Monoisotopic mass440.268860 Da
  • ChemSpider ID22786174

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazolo[3,4-d]pyrimidine, 4-[hexahydro-4-[(3-methylphenyl)methyl]-1H-1,4-diazepin-1-yl]-1-phenyl-6-propyl- [ACD/Index Name]
4-[4-(3-Methylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(3-Methylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-[4-(3-Méthylbenzyl)-1,4-diazépan-1-yl]-1-phényl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 532.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 50.38
ACD/KOC (pH 5.5): 162.58
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2301.49
ACD/KOC (pH 7.4): 7427.33
Polar Surface Area: 50 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 369.0±7.0 cm3

Click to predict properties on the Chemicalize site


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